3-[2-(4-carbamimidoylphenyl)ethylamino]-3-oxidanylidene-2-phenoxy-propanoic acid

Systemtic Name: 3-[2-(4-carbamimidoylphenyl)ethylamino]-3-oxidanylidene-2-phenoxy-propanoic acid Openeye Name: 3-[2-(4-carbamimidoylphenyl)ethylamino]-3-oxo-2-phenoxy-propanoic acid CAS Name: 3-[2-(4-carbamimidoylphenyl)ethylamino]-3-oxo-2-phenoxypropanoic acid IUPAC Name: 3-[2-(4-carbamimidoylphenyl)ethylamino]-3-oxo-2-phenoxypropanoic acid Traditional Name: 3-[2-(4-amidinophenyl)ethylamino]-3-keto-2-phenoxy-propionic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(=O)NCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(C(=O)NCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C18H19N3O4/c19-16(20)13-8-6-12(7-9-13)10-11-21-17(22)15(18(23)24)25-14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H3,19,20)(H,21,22)(H,23,24)